Geometry & MOs

Info

ID:

133018

PubChem CID:

51463005

Reduced:

N2O5H25C28 (1)

Stoich.:

A2B5C25D28 (1)

Weight, g/mol:

506.092589

ΔHf, kcal/mol:

-48.76

Dipole, Da:

19.52

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.933475

Charge, e:

 -1

Chem-info

IUPAC name:

[(2R)-2-(3,4-dichlorophenyl)-4,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-ylidene]-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methanolate

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)[C@H]2C(=C(C3=CC4=C(C=C3)OCCO4)[O-])C(=O)C(=O)N2CC5=CC=CC=C5

DOS

IR

Vibrations